CID 72207485

1408075-97-7

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

CS(=O)(=O)C1CC(C1)N

InChI

InChI=1S/C5H11NO2S/c1-9(7,8)5-2-4(6)3-5/h4-5H,2-3,6H2,1H3

InChIKey

NSBUFVLBFVLDPH-UHFFFAOYSA-N

Compound name

3-methylsulfonylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 149.05106 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	150.058336	125.8
[M+Na]+	172.040278	131.4
[M-H]-	148.043784	128.8
[M+NH4]+	167.084883	140.2
[M+K]+	188.014218	133.1
[M+H-H2O]+	132.048320	114.9
[M+HCOO]-	194.049261	142.0
[M+CH3COO]-	208.064911	177.4
[M+Na-2H]-	170.025726	128.6
[M]+	149.05051142	133.7
[M]-	149.05160858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe